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l.ngmuir-Schaefer Film Investigation and Density Functional Theory Band Gap Calculations of Calix[n]arene-Para-Aminobenzoic Acid for Drug nanosensor Application

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Journal of Wuhan University of Technology(materials Science) 2024年第5期39卷 1311-1318页

作者： WOnG Yeong Yi F l Supian A Radzwan m musa n F n Abd Karim Department of Physics Sultan Idris Education UniversityTanjong Malim 35900Malaysia Department of Chemistry Sultan Idris Education UniversityTanjong Malim 35900Malaysia

Calix[n]arenes was utilized to detect PABA,the primary sunscreen *** study investigates the interaction of calix[4]arene(C4),calix[6]arene(C6),and PABA using the l.ngmuir method and first-principle density functional theory(DFT).Using the l.ngmuir-Schaefer(lS)technique,an ultrathin film composed of calix[n]arenes and their complexes with PABA was deposited on various *** on the l.ngmuir study,the PABA molecule was bonded to the lower rims of both C4 and C6 with the host-guest ratio of 1:*** of the lS films formed were then characterized by ultravioletvisible spectroscopy(UV-Vis),Fourier-transform infrared spectroscopy(FTIR)and carbon,hydrogen,nitrogen,sulfur elemental analyzer(CHnS).The band gap reduction obtained in the DFT study denotes the charge transfer interaction with promising reactivity between the calix[n]arenes and *** sensing of PABA by C4 and C6 is successful based on the formation of bonding between them due to the hosts’effective trapping *** outcomes of this study could be applied to drug delivery systems for future pharmaceutical and medical applications.

关键词： calix[n]arenes band gap density functional theory l.ngmuir-Schaefer PABA sensor

Empirical model for fusion cross sections of Ca-induced reactions

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Chinese Physics C 2024年第3期48卷 126-132页

作者： Reddi Rani.l.n.Sowmya K.n Sridhar H C.manjunatha m.m.Armstrong Arasu Department of Physics St.Joseph's College(Autonomous)Affiliated to Bharathidasan UniversityTiruchirappalli620002TNIndia Department of Physics Govt.First.Grade CollegeChikkaballapur-562101KarnatakaIndia Department of Physics Govt.First.Grade CollegeMalur-563160KarnatakaIndia Department of Physics Govt.First.Grade CollegeDevanahalli-562110KarnatakaIndia

A new empirical formula for the astrophysical S-factor has been suggested as a function of the Coulomb interaction parameter,center of mass energy,and barrier *** 22 fusion reactions with ^(40,48)Ca as projectiles were considered for different targets,leading to compound nuclei with atomic and mass numbers varying between 40≤Z≤≤Z≤112 and 88≤A≤27888≤A≤278,*** fusion cross-sections have been estimated using the geometric factor,the Gamow-Sommerfield factor,and the empirical formula for the *** study's findings showed better agreement with those of available experiments when compared to Wong's *** present work leads to a smaller standard deviation value than Wong's formula when used to correlate the experimental data of calcium-induced fusion ***'s formula provides a good approximation of fusion cross-sections when the center of mass energy is below the fusion barrier when compared to above the fusion barrier.

关键词： fusion cross-sections Wong formula Gamow-Sommerfield-factor Geometric-factor S-factor

metal-modulated epitaxy of mg-doped Al_(0.80)In_(0.20)n-based layer for application as the electron blocking layer in deep ultraviolet light-emitting diodes

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Journal of Semiconductors 2024年第5期45卷 80-89页

作者： Horacio Irán Solís-Cisneros Carlos Alberto Hernández-Gutiérrez Enrique Campos-González máximo lópez-lópez Optomechatronics Group Tecnológico Nacional de México Campus Tuxtla Gutiérrezcarretera Panamericana 1080C.P.29050Tuxtla GutiérrezChiapasMéxico Departamento de Física Instituto Nacional de Investigaciones NuclearesCarretera México-Toluca s/nC.P.52750La Marquesa OcoyoacacMéxico Departamento de Física Centro de Investigación y estudios Avanzados del Instituto Politécnico NacionalAv.Instituto Politécnico Nacional 2508San Pedro ZacatencoGustavo A.Madero07360 Ciudad de MéxicoCDMXMéxico

This work reports the growth and characterization of p-Al.nn layers doped with mg by plasma-assisted molecular beam epitaxy(PAmBE).Al.nn was grown with an Al molar fraction of 0.80 by metal-modulated epitaxy(mmE)with a thickness of 180 nm on Si(111)substrates using Aln as buffer *** substrate temperatures were used to enhance the incorporation of indium atoms into the alloy without clustering,as confirmed by X-ray diffraction(XRD).Cathodoluminescence measurements revealed ultraviolet(UV)range ***,Hall effect measurements indicated a maximum hole mobility of 146 cm^(2)/(V∙s),corresponding to a free hole concentration of 1.23×10^(19)cm^(−3).The samples were analyzed by X-ray photoelectron spectroscopy(XPS)estimating the alloy composition and extracting the Fermi level by val.nce band ***-doped Al.nn layers were studied for use as the electron-blocking layer(EBl)in lED *** varied the Al composition in the EBl from 0.84 to 0.96 molar fraction to assess its theoretical effects on electroluminescence,carrier concentration,and electric field,using SIlVACO *** results from this study highlight the importance and capability of producing high-quality mg-doped p-Al.nn layers through *** simulations suggest that an Al content of 0.86 is optimal for achieving desired outcomes in electroluminescence,carrier concentration,and electric field.

关键词： metal-modulated epitaxy Al.nn DUV-lED EBl simulation

Cr-induced fusion reactions to synthesize superheavy elements

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nuclear Science and Techniques 2024年第5期35卷 122-130页

作者： S.madhu H.C.manjunatha n.Sowmya B.m.Rajesh l.Seenappa R.S.Susheela Department of Physics R V College of EngineeringBangalore 560074India Visvesvaraya Technological University BelagaviKarnataka 590018India Department of Physics Government First Grade CollegeSrinivasapurKarnataka 563135India Department of Physics Government First Grade CollegeDevanahallyKarnataka 562110India Department of Physics Government First Grade CollegeMulbagalKarnataka 563131India Department of Physics Government First Grade collegeNanjangudOoty RoadMysore 571301India

We investigated ^(50,52-54)Cr-induced fusion reactions for the synthesis of the superheavy element in the 104≤Z≤122 *** cross sections produced in this investigation using ^(54)Cr projectiles were compared with those obtained in prior *** estimated cross sections from this analysis are consistent with the findings of prior *** the current study,the predicted cross section was found to be 42fb at 236 meV for ^(53)Cr+^(243)Am,23.2 fb at 236 meV for ^(54)Cr+^(247)Cm,95.6 fb at 240 meV for ^(53)Cr+248Bk,and 1.33 fb at 242 meV for ^(53)Cr+***,these projected cross sections with excitation energy and beam energy will be useful in future Cr-induced fusion reaction investigations.

关键词： Fusion cross sections Compound nucleus formation probability Survival probability Evaporation residue cross sections

Greatly enhanced corrosion/wear resistances of epoxy coating for mg alloy through a synergistic effect between functionalized graphene and insulated blocking layer

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Journal of magnesium and Alloys 2024年第1期12卷 332-344页

作者： Z.Y.Xue X.J.li J.H.Chu m.m.li D.n.Zou l.B.Tong School of metallurgical Engineering Xi’an University of Architecture and TechnologyXi’an 710055China State Key laboratory of Advanced Design and manufacturing for Vehicle Body Hunan UniversityChangsha 410082China

The poor corrosion and wear resistances of mg alloys seriously limit their potential applications in various *** conventional epoxy coating easily forms many intrinsic defects during the solidification process,which cannot provide sufficient *** the current study,we design a double-layer epoxy composite coating on mg alloy with enhanced anti-corrosion/wear properties,via the spin-assisted assembly *** outer layer is functionalized graphene(FG)in waterborne epoxy resin(WEP)and the inner layer is Ce-based conversion(Ce)*** FG sheets can be homogeneously dispersed within the epoxy matrix to fill the intrinsic defects and improve the barrier *** Ce film connects the outer layer with the substrate,showing the transition *** corrosion rate of Ce/WEP/FG composite coating is 2131 times lower than that of bare mg alloy,and the wear rate is decreased by~90%.The improved corrosion resistance is attributed to the labyrinth effect(hindering the penetration of corrosive medium)and the obstruction of galvanic coupl.ng *** synergistic effect derived from the FG sheet and blocking layer exhibits great potential in realizing the improvement of multi-functional integration,which will open up a new avenue for the development of novel composite protection coatings of mg alloys.

关键词： mg alloy Functionalized graphene Epoxy coating Corrosion/wear resistance Blocking layer

A Tutorial on Federated learning from Theory to Practice:Foundations,Software Frameworks,Exemplary Use Cases,and Selected Trends

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IEEE/CAA Journal of Automatica Sinica 2024年第4期11卷 824-850页

作者： m.Victoria luzón nuria Rodríguez-Barroso Alberto Argente-Garrido Daniel Jiménez-lópez Jose m.moyano Javier Del Ser Weiping Ding Francisco Herrera Department of Software Engineering Andalusian Research Institute in Data Science and Computational Intelligence(DaSCI)University of GranadaGranada 18071Spain Department of Computer Science and Artificial Intelligence Andalusian Research Institute in Data Science and Computational Intelligence(DaSCI)University of GranadaGranada 18071Spain Department of Communications Engineering University of the Basque Country(UPV/EHU)and also with TECNALIABasque Research&Technology Alliance(BRTA)Spain School of Information Science and Technology Nantong UniversityNantong 226019China

When data privacy is imposed as a necessity,Federated learning(Fl)emerges as a relevant artificial intelligence field for developing machine learning(ml)models in a distributed and decentralized *** allows ml models to be trained on local devices without any need for centralized data transfer,thereby reducing both the exposure of sensitive data and the possibility of data interception by malicious third *** paradigm has gained momentum in the last few years,spurred by the plethora of real-world applications that have leveraged its ability to improve the efficiency of distributed learning and to accommodate numerous participants with their data *** virtue of Fl,models can be learned from all such distributed data sources while preserving data *** aim of this paper is to provide a practical tutorial on Fl,including a short methodology and a systematic analysis of existing software ***,our tutorial provides exemplary cases of study from three complementary perspectives:i)Foundations of Fl,describing the main components of Fl,from key elements to Fl categories;ii)Implementation guidel.nes and exemplary cases of study,by systematically examining the functionalities provided by existing software frameworks for Fl deployment,devising a methodology to design a Fl scenario,and providing exemplary cases of study with source code for different ml approaches;and iii)Trends,shortly reviewing a non-exhaustive list of research directions that are under active investigation in the current Fl *** ultimate purpose of this work is to establish itself as a referential work for researchers,developers,and data scientists will.ng to explore the capabilities of Fl in practical applications.

关键词： Data privacy distributed machine learning federated learning software frameworks

Electrifying Ba_(0.5)Sr_(0.5)Co_(0.8)Fe_(0.2)O_(3-δ) for focalized heating in oxygen transport membranes

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Journal of Energy Chemistry 2024年第4期91卷 99-110页

作者： marwan laqdiem Julio García-Fayos laura Almar Alfonso J.Carrillo Álvaro Represa Josém.lópez nieto Sonia Escolástico David Catal.n-martinez Jose m.Serra Instituto de Tecnología Química(Universitat Politècnica de Val.ncia–Consejo Superior de Investigaciones Científicas) Av.Los Naranjos s/nE-46022 ValenciaSpain

Industry decarbonization requires the development of highly efficient and flexible technologies relying on renewable energy resources,especially biomass and solar/wind *** the case of pure oxygen production,oxygen transport membranes(OTms)appear as an alternative technology for the cryogenic distillation of air,the industrially-established process of producing ***,OTms could provide oxygen from different sources(air,water,CO_(2),etc.),and they are more flexible in adapting to current processes,producing oxygen at 700^(-1)000℃.Furthermore,OTms can be integrated into catalytic membrane reactors,providing new pathways for different *** first part of this study was focused on electrification on a traditional OTm material(Ba_(0.5)Sr_(0.5)Co_(0.8)Fe_(0.2)O_(3-δ)),imposing different electric currents/voltages al.ng a capillary *** to the emerging Joule effect,the membrane-surface temperature and the associated O_(2) permeation flux could be ***,the OTm is electrically and locally heated and reaches 900℃on the surface,whereas the surrounding of the membrane was maintained at 650℃.The O_(2)permeation flux reached for the electrified membranes was~3.7 nml min^(-1)cm^(-2),corresponding to the flux obtained with an OTm non-electrified at 900℃.The influence of depositing a porous Ce_(0.8)Tb_(0.2)O_(2-δ) catalytic/protective layer on the outer membrane surface revealed that lower surface temperatures(830℃)were detected at the same imposed electric ***,the electrification concept was demonstrated in a catalytic membrane reactor(CmR)where the oxidative dehydrogenation of ethane(ODHE)was carried *** reaction is very sensitive to temperature,and here,we demonstrate an improvement of the ethyl.ne yield by reaching moderate temperatures in the reaction chamber while the O_(2) injection into the reaction can be easily fine-tuned.

关键词： Oxygen permeation Oxidative dehydrogenation of ethane Oxygen transport membranes Joule effect mixed ionic-electronic conductors Catalytic membrane reactors

Extracellular vesicles-coupled miRnAs from oviduct and uterus modulate signal.ng pathways related to lipid metabolism and bovine early embryo development

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Journal of Animal Science and Biotechnology 2024年第4期15卷 1528-1549页

作者： Rosane mazzarella Karina Canon‑Beltran Yulia n.Cajas meriem Hamdi Encina m.Gonzalez Juliano C.da Silveira Claudia l.V.leal D.Rizos Department of Animal Reproduction INIA-CSICMadridSpain Department of Biochemistry and molecular Biology Veterinary FacultyComplutense University of Madrid(UCM)MadridSpain Department Agrarian Production Technical University of MadridUPMMadridSpain Departamento de Ciencias Biologicas Universidad Tecnica Particular de LojaUTPLLojaEcuador Department of Anatomy and Embryology FV-UCMMadridSpain Department of Veterinary medicine FZEA-USPPirassunungaBrazil

Background Extracellular vesicles(EVs) present in oviductal(OF) and uterine fluid(UF) have been shown to enhance bovine embryo quality during in vitro culture by reducing lipid contents and modulating lipid metabolism-related genes(lmGs), while also influencing cell proliferation, suggesting their involvement on the regulation of different biological pathways. The regulation of signal.ng pathways related to cell differentiation, proliferation, and metabo-lism is crucial for early embryo development and can determine the success or failure of the pregnancy. Bioactive molecules within EVs in maternal reproductive fluids, such as micro RnAs(miRnAs), may contribute to this regulatory process as they modulate gene expression through post-transcriptional *** This study evaluated miRnA cargo in OF-EVs from the early luteal phase and UF-EVs from the mid-luteal phase, coinciding with embryo transit within oviduct and uterus in vivo, and its possible influence on lmGs and sign-al.ng pathways crucial for early embryo development. A total of 333 miRnAs were detected, with 11 exclusive to OF, 59 to UF, and 263 were common between both groups. From the 20 differentially expressed miRnAs, 19 up-regulated in UF-EVs(bta-miR-134, bta-miR-151-3p, bta-miR-155, bta-miR-188, bta-miR-181b, bta-miR-181d, bta-miR-224, bta-miR-23b-3p, bta-miR-24-3p, bta-miR-27a-3p, bta-miR-29a, bta-miR-324, bta-miR-326, bta-miR-345-3p, bta-miR-410, bta-miR-652, bta-miR-677, bta-miR-873 and bta-miR-708) and one(bta-miR-148b) in OF-EVs. These miRnAs were predicted to modulate several pathways such as Wnt, Hippo, mAPK, and lipid metabolism and degradation. Differ-ences in miRnAs found in OF-EVs from the early luteal phase and UF-EVs from mid-luteal phase may reflect differ-ent environments to meet the changing needs of the embryo. Additionally, miRnAs may be involved, particularly in the uterus, in the regulation of embryo lipid metabolism, immune system, and *** Our study su

关键词： Embryo-maternal interaction Epigenetic Exosomes mammalian Preimpl.ntation Reproductive fluids

Predicting effects of tunnel throttl.ng of annular freeway vehicular flow by a continuum model

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Journal of Traffic and Transportation Engineering(English Edition) 2024年第4期11卷 733-746页

作者： Zhongmin Huang m.n.Smirnova n.n.Smirnov Zuojin Zhu Faculty of Engineering Science University of Science and Technology of China Institute of Plasma Physics Hefei Institutes of Physical Science Chinese Academy of Sciences Faculty of mechanics and mathematics Lomonosov Moscow State University

Fluid flow throttl.ng is common in industrial and building services engineering. Similar tunnel throttl.ng of vehicular flow is caused by the abrupt number reduction of roadway l.ne, as the tunnel has a lower l.ne number than in the roadway normal segment. To predict the effects of tunnel throttl.ng of annular freeway vehicular flow, a three-l.ne continuum model is developed. l.ne Ⅲ of the tunnel is completely blocked due to the need of tunnel rehabilitation, etc. There exists mandatory net l.ne-changing rate from l.ne Ⅲ to l.ne Ⅱ just upstream of the tunnel entrance, which is described by a model of random number generated through a golden section analysis. The net-changing rate between adjacent l.nes is modeled using a l.ne-changing time expressed explicitly in algebraic form. This paper assumes that the annular freeway has a total l.ngth of 100 km, a two-l.ne tunnel of l.ngth 2 km with a speed limit of 80 km/h. The free flow speeds on l.nes Ⅰ, Ⅱ and Ⅲ are assumed to be 110, 100 and 90 km/h respectively. Based on the three-l.ne continuum model, numerical simulations of vehicular flows on the annular freeway with such a tunnel are conducted with a reliable numerical method of 3rd-order accuracy. numerical results reveal that the vehicular flow has a smaller threshold of traffic jam formation in comparison with the case without tunnel throttl.ng. Vehicle fuel consumption can be estimated by interpolation with time averaged grid traffic speed and an assumed curve of vehicle performance. The vehicle fuel consumption is l.ne number dependent, distributes with initial density concavely, ranging from 5.56 to 8.00 l. Tunnel throttl.ng leads to an earlier traffic jam formation in comparison with the case without tunnel throttl.ng.

关键词： Effects of tunnel throttl.ng Vehicle fuel consumption Travel time Threshold of traffic jam formation Continuum model